N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C18H21N5OS2 — CID 51111758

About N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 51111758) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 51111758
• Molecular Formula: C18H21N5OS2
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.12
• IUPAC Name: N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CCCc1nc(SCc2csc(CC(=O)Nc3ccccc3C)n2)n[nH]1
• InChI: InChI=1S/C18H21N5OS2/c1-3-6-15-21-18(23-22-15)26-11-13-10-25-17(19-13)9-16(24)20-14-8-5-4-7-12(14)2/h4-5,7-8,10H,3,6,9,11H2,1-2H3,(H,20,24)(H,21,22,23)
• InChIKey: NRDIJCUQKJAZAS-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 51111758) is N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CCCc1nc(SCc2csc(CC(=O)Nc3ccccc3C)n2)n[nH]1.

What is the InChIKey of N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is NRDIJCUQKJAZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS2/c1-3-6-15-21-18(23-22-15)26-11-13-10-25-17(19-13)9-16(24)20-14-8-5-4-7-12(14)2/h4-5,7-8,10H,3,6,9,11H2,1-2H3,(H,20,24)(H,21,22,23).

What are the key properties of N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?

N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylphenyl)-2-[4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 51111758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).